5-chloranyl-N-[2-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-[2-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2-nitro-benzamide CAS Name: 5-chloro-N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-2-nitrobenzamide Traditional Name: 5-chloro-N-[2-(6-ethyl-4-keto-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-2-nitro-benzamide Formula: C20H15ClN6O4S MolecularWeight: 470.8889

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H15ClN6O4S/c1-2-12-9-18(28)24-20(22-12)26-17(10-14(25-26)16-4-3-7-32-16)23-19(29)13-8-11(21)5-6-15(13)27(30)31/h3-10H,2H2,1H3,(H,23,29)(H,22,24,28)